phenyl 3,3-dimethyl-N-(4-methylphenyl)-2-oxidanylidene-butanimidothioate

Systemtic Name: phenyl 3,3-dimethyl-N-(4-methylphenyl)-2-oxidanylidene-butanimidothioate Openeye Name: phenyl 3,3-dimethyl-2-oxo-N-(p-tolyl)butanimidothioate CAS Name: 3,3-dimethyl-N-(4-methylphenyl)-2-oxobutanimidothioic acid phenyl ester IUPAC Name: phenyl 3,3-dimethyl-N-(4-methylphenyl)-2-oxobutanimidothioate Traditional Name: 2-keto-3,3-dimethyl-N-(p-tolyl)thiobutyrimidic acid phenyl ester Formula: C19H21NOS MolecularWeight: 311.44114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C(=O)C(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C(=O)C(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NOS/c1-14-10-12-15(13-11-14)20-18(17(21)19(2,3)4)22-16-8-6-5-7-9-16/h5-13H,1-4H3